tert-butyl (2R)-2-[[(2R)-2-azanyl-3-(2-bromanyl-1H-indol-3-yl)propanoyl]amino]hexanoate

Systemtic Name: tert-butyl (2R)-2-[[(2R)-2-azanyl-3-(2-bromanyl-1H-indol-3-yl)propanoyl]amino]hexanoate Openeye Name: tert-butyl (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]hexanoate CAS Name: (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]hexanoate Traditional Name: (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C21H30BrN3O3 MolecularWeight: 452.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=C(NC2=CC=CC=C21)Br)N

Isomeric SMILES

CCCC[C@H](C(=O)OC(C)(C)C)NC(=O)[C@@H](CC1=C(NC2=CC=CC=C21)Br)N

InChI

InChI=1S/C21H30BrN3O3/c1-5-6-10-17(20(27)28-21(2,3)4)25-19(26)15(23)12-14-13-9-7-8-11-16(13)24-18(14)22/h7-9,11,15,17,24H,5-6,10,12,23H2,1-4H3,(H,25,26)/t15-,17-/m1/s1